CID 6437983

70682-66-5

Structural Information

Molecular Formula
C16H27Cl
SMILES
CCCC/C=C/CCC#CCCCCCCCl
InChI
InChI=1S/C16H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6H,2-4,7-8,11-16H2,1H3/b6-5+
InChIKey
QZOPJHLCHHFHTC-AATRIKPKSA-N
Compound name
(E)-16-chlorohexadec-5-en-9-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.18013 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18741 159.3
[M+Na]+ 277.16935 166.9
[M-H]- 253.17285 157.8
[M+NH4]+ 272.21395 176.0
[M+K]+ 293.14329 160.2
[M+H-H2O]+ 237.17739 148.7
[M+HCOO]- 299.17833 171.1
[M+CH3COO]- 313.19398 203.3
[M+Na-2H]- 275.15480 161.0
[M]+ 254.17958 159.1
[M]- 254.18068 159.1
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.