CID 145915773

(e)-n-cyclopropyl-2,2,2-trifluoroethanecarbonimidoyl chloride

Structural Information

Molecular Formula
C5H5ClF3N
SMILES
C1CC1N=C(C(F)(F)F)Cl
InChI
InChI=1S/C5H5ClF3N/c6-4(5(7,8)9)10-3-1-2-3/h3H,1-2H2
InChIKey
XNVVXPRIFSWURD-UHFFFAOYSA-N
Compound name
N-cyclopropyl-2,2,2-trifluoroethanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.00626 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01354 122.3
[M+Na]+ 193.99548 132.3
[M-H]- 169.99898 124.3
[M+NH4]+ 189.04008 138.9
[M+K]+ 209.96942 128.9
[M+H-H2O]+ 154.00352 114.8
[M+HCOO]- 216.00446 139.5
[M+CH3COO]- 230.02011 184.4
[M+Na-2H]- 191.98093 128.7
[M]+ 171.00571 121.7
[M]- 171.00681 121.7
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

No patent data available for this compound.