CID 165991816

(6-amino-2,2-difluoro-1,3-dioxaindan-4-yl)methanol

Structural Information

Molecular Formula
C8H7F2NO3
SMILES
C1=C(C=C2C(=C1CO)OC(O2)(F)F)N
InChI
InChI=1S/C8H7F2NO3/c9-8(10)13-6-2-5(11)1-4(3-12)7(6)14-8/h1-2,12H,3,11H2
InChIKey
AASFXCCXJQSCNQ-UHFFFAOYSA-N
Compound name
(6-amino-2,2-difluoro-1,3-benzodioxol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0394 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04668 135.7
[M+Na]+ 226.02862 146.6
[M-H]- 202.03212 138.2
[M+NH4]+ 221.07322 156.4
[M+K]+ 242.00256 145.7
[M+H-H2O]+ 186.03666 130.1
[M+HCOO]- 248.03760 155.3
[M+CH3COO]- 262.05325 182.6
[M+Na-2H]- 224.01407 143.0
[M]+ 203.03885 134.8
[M]- 203.03995 134.8
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

No patent data available for this compound.