CID 11333068

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

Structural Information

Molecular Formula
C7H4F5N
SMILES
C1=C(C=C(C(=C1F)N)F)C(F)(F)F
InChI
InChI=1S/C7H4F5N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
InChIKey
ZRKPSBIIUHNZDU-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

197.02638 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.033656 132.3
[M+Na]+ 220.015598 143.2
[M-H]- 196.019104 130.1
[M+NH4]+ 215.060203 151.7
[M+K]+ 235.989538 139.7
[M+H-H2O]+ 180.023640 123.2
[M+HCOO]- 242.024581 150.8
[M+CH3COO]- 256.040231 186.7
[M+Na-2H]- 218.001046 136.2
[M]+ 197.02583142 124.1
[M]- 197.02692858 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