CID 67938

1,1,2-trichloro-3,3,3-trifluoropropene

Structural Information

Molecular Formula
C3Cl3F3
SMILES
C(=C(Cl)Cl)(C(F)(F)F)Cl
InChI
InChI=1S/C3Cl3F3/c4-1(2(5)6)3(7,8)9
InChIKey
QSSVZVNYQIGOJR-UHFFFAOYSA-N
Compound name
1,1,2-trichloro-3,3,3-trifluoroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

663
Patents

197.90176 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.90904 124.0
[M+Na]+ 220.89098 133.9
[M-H]- 196.89448 119.6
[M+NH4]+ 215.93558 144.3
[M+K]+ 236.86492 128.8
[M+H-H2O]+ 180.89902 120.6
[M+HCOO]- 242.89996 127.8
[M+CH3COO]- 256.91561 180.9
[M+Na-2H]- 218.87643 127.4
[M]+ 197.90121 120.9
[M]- 197.90231 120.9
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

patents stripe