CID 20533114

3,5-difluoro-2-methylaniline hydrochloride

Structural Information

Molecular Formula
C7H7F2N
SMILES
CC1=C(C=C(C=C1F)F)N
InChI
InChI=1S/C7H7F2N/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,10H2,1H3
InChIKey
FKRCKCKSZRUPHS-UHFFFAOYSA-N
Compound name
3,5-difluoro-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

143.05466 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06194 123.3
[M+Na]+ 166.04388 133.6
[M-H]- 142.04738 124.9
[M+NH4]+ 161.08848 145.1
[M+K]+ 182.01782 131.0
[M+H-H2O]+ 126.05192 116.6
[M+HCOO]- 188.05286 146.8
[M+CH3COO]- 202.06851 178.3
[M+Na-2H]- 164.02933 128.6
[M]+ 143.05411 119.5
[M]- 143.05521 119.5
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