CID 85331

2-propenenitrile, 2,3,3-trichloro-

Structural Information

Molecular Formula
C3Cl3N
SMILES
C(#N)C(=C(Cl)Cl)Cl
InChI
InChI=1S/C3Cl3N/c4-2(1-7)3(5)6
InChIKey
RIMSDWNIRWMXBC-UHFFFAOYSA-N
Compound name
2,3,3-trichloroprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

154.90964 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.91692 125.4
[M+Na]+ 177.89886 137.0
[M-H]- 153.90236 125.4
[M+NH4]+ 172.94346 145.4
[M+K]+ 193.87280 132.1
[M+H-H2O]+ 137.90690 118.0
[M+HCOO]- 199.90784 131.9
[M+CH3COO]- 213.92349 187.2
[M+Na-2H]- 175.88431 129.5
[M]+ 154.90909 121.4
[M]- 154.91019 121.4
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