CID 137265

2,2,2-trichloro-3'-(trifluoromethyl)acetanilide

Structural Information

Molecular Formula
C9H5Cl3F3NO
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)(Cl)Cl)C(F)(F)F
InChI
InChI=1S/C9H5Cl3F3NO/c10-8(11,12)7(17)16-6-3-1-2-5(4-6)9(13,14)15/h1-4H,(H,16,17)
InChIKey
KQIOOEOHDXWXQY-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

304.93887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.94615 154.0
[M+Na]+ 327.92809 163.7
[M-H]- 303.93159 152.7
[M+NH4]+ 322.97269 170.2
[M+K]+ 343.90203 157.2
[M+H-H2O]+ 287.93613 148.5
[M+HCOO]- 349.93707 158.0
[M+CH3COO]- 363.95272 199.7
[M+Na-2H]- 325.91354 158.1
[M]+ 304.93832 152.6
[M]- 304.93942 152.6
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