CID 58482996

2-(difluoromethyl)-4-fluoroaniline hydrochloride

Structural Information

Molecular Formula
C7H6F3N
SMILES
C1=CC(=C(C=C1F)C(F)F)N
InChI
InChI=1S/C7H6F3N/c8-4-1-2-6(11)5(3-4)7(9)10/h1-3,7H,11H2
InChIKey
GMOKYLWICVYFLS-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

161.04523 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05251 126.8
[M+Na]+ 184.03445 136.0
[M-H]- 160.03795 126.7
[M+NH4]+ 179.07905 147.3
[M+K]+ 200.00839 133.3
[M+H-H2O]+ 144.04249 118.9
[M+HCOO]- 206.04343 148.2
[M+CH3COO]- 220.05908 180.8
[M+Na-2H]- 182.01990 130.9
[M]+ 161.04468 120.8
[M]- 161.04578 120.8
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

patents stripe