CID 10149016

2-(trifluoromethyl)prop-2-enoyl chloride

Structural Information

Molecular Formula
C4H2ClF3O
SMILES
C=C(C(=O)Cl)C(F)(F)F
InChI
InChI=1S/C4H2ClF3O/c1-2(3(5)9)4(6,7)8/h1H2
InChIKey
HXSIAJREWWAACY-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

439
Patents

157.97462 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.98190 120.2
[M+Na]+ 180.96384 129.8
[M-H]- 156.96734 117.2
[M+NH4]+ 176.00844 141.9
[M+K]+ 196.93778 127.2
[M+H-H2O]+ 140.97188 115.2
[M+HCOO]- 202.97282 134.3
[M+CH3COO]- 216.98847 174.8
[M+Na-2H]- 178.94929 124.8
[M]+ 157.97407 117.1
[M]- 157.97517 117.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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