CID 11745360

(2,2-difluoro-2h-1,3-benzodioxol-4-yl)methanamine

Structural Information

Molecular Formula
C8H7F2NO2
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)CN
InChI
InChI=1S/C8H7F2NO2/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3H,4,11H2
InChIKey
LZUWIFLVQKZUOO-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

187.04448 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05176 132.4
[M+Na]+ 210.03370 142.9
[M-H]- 186.03720 136.0
[M+NH4]+ 205.07830 154.2
[M+K]+ 226.00764 142.4
[M+H-H2O]+ 170.04174 126.4
[M+HCOO]- 232.04268 153.4
[M+CH3COO]- 246.05833 181.6
[M+Na-2H]- 208.01915 140.6
[M]+ 187.04393 131.4
[M]- 187.04503 131.4
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