CID 74089

5-chlorovaleryl chloride

Structural Information

Molecular Formula
C5H8Cl2O
SMILES
C(CCCl)CC(=O)Cl
InChI
InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey
SVNNWKWHLOJLOK-UHFFFAOYSA-N
Compound name
5-chloropentanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2587
Patents

153.99522 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00250 126.7
[M+Na]+ 176.98444 135.5
[M-H]- 152.98794 126.5
[M+NH4]+ 172.02904 149.0
[M+K]+ 192.95838 132.0
[M+H-H2O]+ 136.99248 124.4
[M+HCOO]- 198.99342 140.7
[M+CH3COO]- 213.00907 175.0
[M+Na-2H]- 174.96989 132.1
[M]+ 153.99467 130.2
[M]- 153.99577 130.2
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