CID 23345304

2,4-difluoro-6-(trifluoromethyl)aniline hydrochloride

Structural Information

Molecular Formula
C7H4F5N
SMILES
C1=C(C=C(C(=C1C(F)(F)F)N)F)F
InChI
InChI=1S/C7H4F5N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2
InChIKey
PUFNGLYJOKWCQN-UHFFFAOYSA-N
Compound name
2,4-difluoro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.02638 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03366 132.3
[M+Na]+ 220.01560 143.2
[M-H]- 196.01910 130.1
[M+NH4]+ 215.06020 151.7
[M+K]+ 235.98954 139.7
[M+H-H2O]+ 180.02364 123.2
[M+HCOO]- 242.02458 150.8
[M+CH3COO]- 256.04023 186.7
[M+Na-2H]- 218.00105 136.2
[M]+ 197.02583 124.1
[M]- 197.02693 124.1
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