CID 12300207

Bornyl chloride, (+)-

Structural Information

Molecular Formula
C10H17Cl
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2Cl
InChI
InChI=1S/C10H17Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
InChIKey
XXZAOMJCZBZKPV-WEDXCCLWSA-N
Compound name
(1R,2S,4R)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

403
Patents

172.10188 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10916 139.5
[M+Na]+ 195.09110 149.7
[M-H]- 171.09460 142.8
[M+NH4]+ 190.13570 170.2
[M+K]+ 211.06504 145.2
[M+H-H2O]+ 155.09914 137.5
[M+HCOO]- 217.10008 155.8
[M+CH3COO]- 231.11573 180.2
[M+Na-2H]- 193.07655 143.6
[M]+ 172.10133 140.4
[M]- 172.10243 140.4
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