CID 14680122

1-chlorohex-5-en-2-ol

Structural Information

Molecular Formula
C6H11ClO
SMILES
C=CCCC(CCl)O
InChI
InChI=1S/C6H11ClO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5H2
InChIKey
YDIUXTQZSCDIFD-UHFFFAOYSA-N
Compound name
1-chlorohex-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

134.04984 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.057116 126.7
[M+Na]+ 157.039058 134.4
[M-H]- 133.042564 125.6
[M+NH4]+ 152.083663 148.9
[M+K]+ 173.012998 131.3
[M+H-H2O]+ 117.047100 123.7
[M+HCOO]- 179.048041 143.9
[M+CH3COO]- 193.063691 170.3
[M+Na-2H]- 155.024506 131.7
[M]+ 134.04929142 127.9
[M]- 134.05038858 127.9
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