CID 643049

6-chlorohexanal

Structural Information

Molecular Formula
C6H11ClO
SMILES
C(CCC=O)CCCl
InChI
InChI=1S/C6H11ClO/c7-5-3-1-2-4-6-8/h6H,1-5H2
InChIKey
GVIQYWPEJQUXLX-UHFFFAOYSA-N
Compound name
6-chlorohexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

312
Patents

134.04984 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.057116 125.7
[M+Na]+ 157.039058 134.0
[M-H]- 133.042564 125.9
[M+NH4]+ 152.083663 148.6
[M+K]+ 173.012998 131.6
[M+H-H2O]+ 117.047100 122.4
[M+HCOO]- 179.048041 145.4
[M+CH3COO]- 193.063691 172.3
[M+Na-2H]- 155.024506 132.5
[M]+ 134.04929142 129.5
[M]- 134.05038858 129.5
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