CID 88329

10-chloroanthracene-9-methanol

Structural Information

Molecular Formula
C15H11ClO
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)CO
InChI
InChI=1S/C15H11ClO/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8,17H,9H2
InChIKey
ABDVUIRYSXXVKE-UHFFFAOYSA-N
Compound name
(10-chloroanthracen-9-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

242.04984 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05712 148.9
[M+Na]+ 265.03906 160.8
[M-H]- 241.04256 153.7
[M+NH4]+ 260.08366 169.3
[M+K]+ 281.01300 153.7
[M+H-H2O]+ 225.04710 143.5
[M+HCOO]- 287.04804 166.7
[M+CH3COO]- 301.06369 162.5
[M+Na-2H]- 263.02451 158.2
[M]+ 242.04929 152.8
[M]- 242.05039 152.8
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