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

25
Patents

242.04984 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.057116 148.9
[M+Na]+ 265.039058 160.8
[M-H]- 241.042564 153.7
[M+NH4]+ 260.083663 169.3
[M+K]+ 281.012998 153.7
[M+H-H2O]+ 225.047100 143.5
[M+HCOO]- 287.048041 166.7
[M+CH3COO]- 301.063691 162.5
[M+Na-2H]- 263.024506 158.2
[M]+ 242.04929142 152.8
[M]- 242.05038858 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