CID 129014282

1360828-80-3

Structural Information

Molecular Formula
C9H14F2N2O3S
SMILES
CC1(CC1)S(=O)(=O)NC(=O)[C@]2(CC2C(F)F)N
InChI
InChI=1S/C9H14F2N2O3S/c1-8(2-3-8)17(15,16)13-7(14)9(12)4-5(9)6(10)11/h5-6H,2-4,12H2,1H3,(H,13,14)/t5?,9-/m1/s1
InChIKey
UHBJPNXGJDBGEK-OLAZFDQMSA-N
Compound name
(1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

268.0693 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07658 148.8
[M+Na]+ 291.05852 154.8
[M-H]- 267.06202 152.7
[M+NH4]+ 286.10312 156.8
[M+K]+ 307.03246 153.9
[M+H-H2O]+ 251.06656 144.8
[M+HCOO]- 313.06750 160.2
[M+CH3COO]- 327.08315 206.8
[M+Na-2H]- 289.04397 150.9
[M]+ 268.06875 152.1
[M]- 268.06985 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe