CID 70192

2-chloro-2,3,3-trimethylbutane

Structural Information

Molecular Formula
C7H15Cl
SMILES
CC(C)(C)C(C)(C)Cl
InChI
InChI=1S/C7H15Cl/c1-6(2,3)7(4,5)8/h1-5H3
InChIKey
IFMWWVGVDOTBNN-UHFFFAOYSA-N
Compound name
2-chloro-2,3,3-trimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

134.08623 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.093506 127.9
[M+Na]+ 157.075448 136.6
[M-H]- 133.078954 128.8
[M+NH4]+ 152.120053 151.4
[M+K]+ 173.049388 134.8
[M+H-H2O]+ 117.083490 125.8
[M+HCOO]- 179.084431 143.8
[M+CH3COO]- 193.100081 174.5
[M+Na-2H]- 155.060896 135.5
[M]+ 134.08568142 130.3
[M]- 134.08677858 130.3
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