CID 15840550

174894-80-5

Structural Information

Molecular Formula
C11H13BrO
SMILES
CC1(CCC2=C(O1)C=CC(=C2)Br)C
InChI
InChI=1S/C11H13BrO/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7H,5-6H2,1-2H3
InChIKey
HOPZMALEQZMIAZ-UHFFFAOYSA-N
Compound name
6-bromo-2,2-dimethyl-3,4-dihydrochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

240.01498 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02226 144.7
[M+Na]+ 263.00420 156.4
[M-H]- 239.00770 152.6
[M+NH4]+ 258.04880 168.0
[M+K]+ 278.97814 147.0
[M+H-H2O]+ 223.01224 145.8
[M+HCOO]- 285.01318 162.7
[M+CH3COO]- 299.02883 189.3
[M+Na-2H]- 260.98965 154.3
[M]+ 240.01443 163.2
[M]- 240.01553 163.2
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

patents stripe