CID 79091

1-chloro-1,2,2-trifluorocyclobutane

Structural Information

Molecular Formula
C4H4ClF3
SMILES
C1CC(C1(F)F)(F)Cl
InChI
InChI=1S/C4H4ClF3/c5-3(6)1-2-4(3,7)8/h1-2H2
InChIKey
ZZQYDYODFHABLC-UHFFFAOYSA-N
Compound name
1-chloro-1,2,2-trifluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

78
Patents

143.99536 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.00264 115.3
[M+Na]+ 166.98458 125.7
[M-H]- 142.98808 116.3
[M+NH4]+ 162.02918 135.4
[M+K]+ 182.95852 125.3
[M+H-H2O]+ 126.99262 107.6
[M+HCOO]- 188.99356 131.0
[M+CH3COO]- 203.00921 175.6
[M+Na-2H]- 164.97003 123.1
[M]+ 143.99481 121.0
[M]- 143.99591 121.0
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