CID 13648524

5-amino-2-(trifluoromethoxy)benzotrifluoride

Structural Information

Molecular Formula
C8H5F6NO
SMILES
C1=CC(=C(C=C1N)C(F)(F)F)OC(F)(F)F
InChI
InChI=1S/C8H5F6NO/c9-7(10,11)5-3-4(15)1-2-6(5)16-8(12,13)14/h1-3H,15H2
InChIKey
ZXYQQLFHWWMQHL-UHFFFAOYSA-N
Compound name
4-(trifluoromethoxy)-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

245.02753 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03481 143.7
[M+Na]+ 268.01675 153.8
[M-H]- 244.02025 139.9
[M+NH4]+ 263.06135 160.8
[M+K]+ 283.99069 150.5
[M+H-H2O]+ 228.02479 133.5
[M+HCOO]- 290.02573 159.4
[M+CH3COO]- 304.04138 193.3
[M+Na-2H]- 266.00220 148.0
[M]+ 245.02698 134.9
[M]- 245.02808 134.9
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